3,5,7-tris(morpholin-4-ylmethyl)-2-oxidanyl-cyclohepta-2,4,6-trien-1-one

Systemtic Name: 3,5,7-tris(morpholin-4-ylmethyl)-2-oxidanyl-cyclohepta-2,4,6-trien-1-one Openeye Name: 2-hydroxy-3,5,7-tris(morpholinomethyl)cyclohepta-2,4,6-trien-1-one CAS Name: 2-hydroxy-3,5,7-tris(4-morpholinylmethyl)-1-cyclohepta-2,4,6-trienone IUPAC Name: 2-hydroxy-3,5,7-tris(morpholin-4-ylmethyl)cyclohepta-2,4,6-trien-1-one Traditional Name: 2-hydroxy-3,5,7-tris(morpholinomethyl)cyclohepta-2,4,6-trien-1-one Formula: C22H33N3O5 MolecularWeight: 419.51452

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CC2=CC(=C(C(=O)C(=C2)CN3CCOCC3)O)CN4CCOCC4

Isomeric SMILES

C1COCCN1CC2=CC(=C(C(=O)C(=C2)CN3CCOCC3)O)CN4CCOCC4

InChI

InChI=1S/C22H33N3O5/c26-21-19(16-24-3-9-29-10-4-24)13-18(15-23-1-7-28-8-2-23)14-20(22(21)27)17-25-5-11-30-12-6-25/h13-14H,1-12,15-17H2,(H,26,27)